alumanetriol hydrate

• ChemBase ID: 105718
• Molecular Formular: AlH5O4
• Molecular Mass: 96.018838
• Monoisotopic Mass: 96.00032227
• SMILES: O.O[Al](O)O
• Canonical SMILES: O[Al](O)O.O
• InChI: InChI=1S/Al.4H2O/h;4*1H2/q+3;;;;/p-3
• InChIKey: SMYKVLBUSSNXMV-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: alumanetriol hydrate
• IUPAC Traditional name: aluminium hydroxide hydrate
• Synonyms: Aluminum hydroxide hydrate; Alumina hydrate; Aluminic acid; Aluminium hydroxide; Aluminumhydroxid; aluminum hydroxide gel; Aluminum(III) hydroxide; ALUMINUM HYDROXIDE HYDRATE; 氢氧化铝 水合物

Database IDs

• CAS Number: 21645-51-2; 1330-44-5
• EC Number: 244-492-7
• MDL Number: MFCD00149133
• PubChem SID: 162092573; 24890563
• PubChem CID: 6328660

CALCULATED PROPERTIES

• Acid pKa: 17.997124
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.3586
• LogD (pH = 7.4): -1.3586
• Log P: -1.3586
• Molar Refractivity: 7.6938 cm^3
• Polarizability: 5.3962245 Å^3
• Polar Surface Area: 60.69 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder
• Density: 2.42 g/cm^3 at 20 °C

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate
• RTECS: BD0940000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36; R:36/37
• Safety Statements: 26-36; S:22-25
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

DETAILS

MP Biomedicals - 02193842

Hydrate

Sigma Aldrich - A1577

包装
1 kg in poly drum
500 g in glass bottle